N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C15H26N4S — CID 64976997

IUPACN-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCN1CCN(c2nc3c(s2)CCCC3NC)CC1
InChIInChI=1S/C15H26N4S/c1-3-7-18-8-10-19(11-9-18)15-17-14-12(16-2)5-4-6-13(14)20-15/h12,16H,3-11H2,1-2H3
InChIKeyAJMPJEIQNRSSBE-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.27
Rot. Bonds4

About N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976997) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976997
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCN1CCN(c2nc3c(s2)CCCC3NC)CC1
InChIInChI=1S/C15H26N4S/c1-3-7-18-8-10-19(11-9-18)15-17-14-12(16-2)5-4-6-13(14)20-15/h12,16H,3-11H2,1-2H3
InChIKeyAJMPJEIQNRSSBE-UHFFFAOYSA-N
XLogP2.27
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
2-(4-tert-butylpiperidin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977286
2-(4,4-dimethylazepan-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65286484
4-[4-(methylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66060841
N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976705
4-cyclopropyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63915806
2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975636
2-(2-methylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976976
N-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975639
2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977321
N-ethyl-2-(2-ethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976775
2-(2,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977263

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976997) is N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCN1CCN(c2nc3c(s2)CCCC3NC)CC1.
What is the InChIKey of N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is AJMPJEIQNRSSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-7-18-8-10-19(11-9-18)15-17-14-12(16-2)5-4-6-13(14)20-15/h12,16H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 294.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).